CID 493053

Chembl58026

Structural Information

Molecular Formula
C9H17N4O5P
SMILES
CN(C)C1=CC(=NC(=N1)N)OCCOCP(=O)(O)O
InChI
InChI=1S/C9H17N4O5P/c1-13(2)7-5-8(12-9(10)11-7)18-4-3-17-6-19(14,15)16/h5H,3-4,6H2,1-2H3,(H2,10,11,12)(H2,14,15,16)
InChIKey
QMLGOQBBWPUWDR-UHFFFAOYSA-N
Compound name
2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

26
Patents

292.09366 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10094 164.2
[M+Na]+ 315.08288 170.0
[M-H]- 291.08638 162.5
[M+NH4]+ 310.12748 175.8
[M+K]+ 331.05682 170.0
[M+H-H2O]+ 275.09092 153.8
[M+HCOO]- 337.09186 189.6
[M+CH3COO]- 351.10751 204.3
[M+Na-2H]- 313.06833 166.6
[M]+ 292.09311 167.6
[M]- 292.09421 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe